5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one

C10H15F3N4O — CID 114397459

IUPAC5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CCNCC(F)(F)F)c(=O)c1
InChIInChI=1S/C10H15F3N4O/c1-16(2)8-5-9(18)17(15-6-8)4-3-14-7-10(11,12)13/h5-6,14H,3-4,7H2,1-2H3
InChIKeyWRFFIOUCBGZMMI-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.46
Rot. Bonds5

About 5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one

5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one (PubChem CID 114397459) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
PubChem CID114397459
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CCNCC(F)(F)F)c(=O)c1
InChIInChI=1S/C10H15F3N4O/c1-16(2)8-5-9(18)17(15-6-8)4-3-14-7-10(11,12)13/h5-6,14H,3-4,7H2,1-2H3
InChIKeyWRFFIOUCBGZMMI-UHFFFAOYSA-N
XLogP0.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088765
(2R)-2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088829
4-Chloro-5-[2-(dimethylamino)ethylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 16091043
4-Bromo-2-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethylamino]pyridazin-3-one
CID 75420605
2-(4-amino-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103218361
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103218675
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219116
2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219530
2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219931
2-[6-oxo-4-(propylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220293
2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220641
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103221221

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one (CID 114397459) is 5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one is CN(C)c1cnn(CCNCC(F)(F)F)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one?
The InChIKey is WRFFIOUCBGZMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-16(2)8-5-9(18)17(15-6-8)4-3-14-7-10(11,12)13/h5-6,14H,3-4,7H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one has a molecular weight of 264.25 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114397459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).